Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.61 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11682443 | 0.94 | GABRA1 (0.55) | GABRA1GABRB1TSHRRORCCA1 | |
| SCHEMBL9797399 | 0.90 | GABRA1 (0.50) | GABRA1GABRB1TSHRRORCCA1 | |
| SCHEMBL11679871 | 0.87 | GABRA1 (0.47) | GABRA1GABRB1TSHRRORCALDH1A1 | |
| SCHEMBL2168125 | 0.84 | RORC (0.46) | GABRA1GABRB1TSHRRORCALDH1A1 | |
| SCHEMBL10946690 | 0.82 | CA1 (0.58) | GABRA1GABRB1TSHRRORCCA1 | |
| SCHEMBL1836944 | 0.80 | TSHR (0.48) | GABRA1GABRB1TSHRRORCCA1 | |
| SCHEMBL6943323 | 0.80 | TSHR (0.48) | GABRA1GABRB1TSHRRORCCA1 | |
| SCHEMBL8469992 | 0.79 | RORC (0.58) | GABRA1GABRB1TSHRRORCALDH1A1 | |
| SCHEMBL9182058 | 0.79 | MAPT (0.41) | GABRA1GABRB1TSHRRORCALDH1A1 | |
| SCHEMBL9182063 | 0.79 | MAPT (0.41) | GABRA1GABRB1TSHRRORCALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2301908-B1 | (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect, treatment of nausea and vomiting and treatment of migraine | SIGNATURE THERAPEUTICS INC (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2146946-B1 | (-)- stereoisomer of 2,6-di-sec-butylphenol and analogs thereof | PHARMACOFORE INC (US) | 2010-11-10 | — | — | EP | disclosed |
| US-3933927-A | Phenol transalkylation process | ETHYL CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |